N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide

C18H23N3O — CID 109180715

IUPACN-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C18H23N3O/c1-4-5-10-19-18(22)17-9-7-15(12-20-17)21-16-8-6-13(2)11-14(16)3/h6-9,11-12,21H,4-5,10H2,1-3H3,(H,19,22)
InChIKeyQMRMKGNXXCZBBA-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.97
Rot. Bonds6

About N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide

N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide (PubChem CID 109180715) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
PubChem CID109180715
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C18H23N3O/c1-4-5-10-19-18(22)17-9-7-15(12-20-17)21-16-8-6-13(2)11-14(16)3/h6-9,11-12,21H,4-5,10H2,1-3H3,(H,19,22)
InChIKeyQMRMKGNXXCZBBA-UHFFFAOYSA-N
XLogP3.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromo-2-methylanilino)-N-butylpyridine-2-carboxamide
CID 109180783
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide
CID 109179204
N-cyclopropyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109179929
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
5-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188662
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109198012
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
N-(2,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109197955
N-butyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109180787
N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109180770

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide (CID 109180715) is N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide is CCCCNC(=O)c1ccc(Nc2ccc(C)cc2C)cn1.
What is the InChIKey of N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide?
The InChIKey is QMRMKGNXXCZBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-5-10-19-18(22)17-9-7-15(12-20-17)21-16-8-6-13(2)11-14(16)3/h6-9,11-12,21H,4-5,10H2,1-3H3,(H,19,22).
What are the key properties of N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide?
N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109180715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).